CID 145425657

C13H19N2 — CID 145425657

IUPAC—
SMILESC/N=C(C)/C(=C(/C)C1=C[CH]1)C1CCCN1
InChIInChI=1S/C13H19N2/c1-9(11-6-7-11)13(10(2)14-3)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3/b13-9+,14-10+
InChIKeyPSUWYMUEQJSRFE-UTLPMFLDSA-N
MW203.31 g/mol
LogP2.29
Rot. Bonds3

About CID 145425657

CID 145425657 (PubChem CID 145425657) has the molecular formula C13H19N2 and a molecular weight of 203.31 g/mol.

Molecular Properties

Compound NameCID 145425657
PubChem CID145425657
Molecular FormulaC13H19N2
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC Name—
SMILESC/N=C(C)/C(=C(/C)C1=C[CH]1)C1CCCN1
InChIInChI=1S/C13H19N2/c1-9(11-6-7-11)13(10(2)14-3)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3/b13-9+,14-10+
InChIKeyPSUWYMUEQJSRFE-UTLPMFLDSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 145425657?
The IUPAC name of CID 145425657 (CID 145425657) is not available.
What is the SMILES notation for CID 145425657?
The canonical SMILES for CID 145425657 is C/N=C(C)/C(=C(/C)C1=C[CH]1)C1CCCN1.
What is the InChIKey of CID 145425657?
The InChIKey is PSUWYMUEQJSRFE-UTLPMFLDSA-N. The full InChI is InChI=1S/C13H19N2/c1-9(11-6-7-11)13(10(2)14-3)12-5-4-8-15-12/h6-7,12,15H,4-5,8H2,1-3H3/b13-9+,14-10+.
What are the key properties of CID 145425657?
CID 145425657 has a molecular weight of 203.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145425657 is sourced from PubChem (CID 145425657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).